CID 3050462

4-piperidone, 3-axial-hydroxy-3-equatorial-methyl-6-equatorial-phenyl-, hydrochloride

Structural Information

Molecular Formula
C12H15NO2
SMILES
C[C@@]1(CN[C@@H](CC1=O)C2=CC=CC=C2)O
InChI
InChI=1S/C12H15NO2/c1-12(15)8-13-10(7-11(12)14)9-5-3-2-4-6-9/h2-6,10,13,15H,7-8H2,1H3/t10-,12-/m0/s1
InChIKey
FCHSENMMULOZQO-JQWIXIFHSA-N
Compound name
(2S,5S)-5-hydroxy-5-methyl-2-phenylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 146.2
[M+Na]+ 228.09950 152.9
[M-H]- 204.10300 148.7
[M+NH4]+ 223.14410 164.3
[M+K]+ 244.07344 148.9
[M+H-H2O]+ 188.10754 139.7
[M+HCOO]- 250.10848 163.3
[M+CH3COO]- 264.12413 179.6
[M+Na-2H]- 226.08495 151.1
[M]+ 205.10973 140.4
[M]- 205.11083 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.